嘧菌酯
TL;DR: 嘧菌酯 (CAS 131860-33-8) is a chemical compound with molecular formula C22H17N3O5 and molecular weight 403.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
嘧菌酯
methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
Also Known As: Azoxystrobin, (Z)-Azoxystrobin, Azoxystrobin-d4, Bankit; Cruiser Extreme;ICI-A 5504, methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-prop-2-enoate
| Molecular Formula | C22H17N3O5 |
|---|---|
| Molecular Weight | 403.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.11682 |
| Heavy Atoms | 30 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 131860-33-8 |
|---|---|
| SMILES | COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC |
| InChIKey | WFDXOXNFNRHQEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
嘧菌酯 (CAS 131860-33-8), with molecular formula C22H17N3O5 and molecular weight 403.12 g/mol. IUPAC: methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate.
Chemical Property Profile of 嘧菌酯
Property Insights of 嘧菌酯
The XLogP value of 3.7 indicates that 嘧菌酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 嘧菌酯. Following Lipinski's Rule of Five, 嘧菌酯 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 嘧菌酯?
The CAS number of 嘧菌酯 is 131860-33-8.
What is the molecular formula of 嘧菌酯?
The molecular formula of 嘧菌酯 is C22H17N3O5.
What is the molecular weight of 嘧菌酯?
The molecular weight of 嘧菌酯 is 403.12 g/mol.
Where can I buy 嘧菌酯?
You can request a quote for 嘧菌酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 嘧菌酯?
Yes, KEHONG BIO provides custom synthesis services for 嘧菌酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.